SCHEMBL461238

SCHEMBL461238

NS(=O)(=O)N1C=CCc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.35
CA1 P00915 6/20 0.35
CA7 P43166 6/20 0.35
CA9 Q16790 5/20 0.35
CA14 Q9ULX7 5/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CA12 O43570 3/20 0.33
CA3 P07451 3/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 3/20 0.33
CA5A P35218 3/20 0.33
CA13 Q8N1Q1 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL115429 0.82 NPC1 (0.34) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL4838387 0.71 HTR2A (0.36) MEN1KMT2APOLBSMN1; SMN2HTR2A
SCHEMBL1375450 0.71 NPC1 (0.35) MEN1KMT2APOLBSMN1; SMN2HTR2A
SCHEMBL374979 0.69 ALDH1A1 (0.33) MEN1KMT2APOLBSMN1; SMN2HTR2A
SCHEMBL3266678 0.68 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL2073990 0.67 HTR2A (0.36) MEN1KMT2APOLBSMN1; SMN2HTR2A
SCHEMBL553792 0.67 NPC1 (0.35) MEN1KMT2APOLBSMN1; SMN2HTR2A
SCHEMBL15010759 0.67 POLB (0.33) MEN1KMT2APOLBSMN1; SMN2HTR2A
SCHEMBL1198917 0.67 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2LMNAHTR2A
SCHEMBL6615965 0.67 NPC1 (0.33) POLBSMN1; SMN2HTR2ANPC1MITF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275165-A1 COMPOUNDS THAT INHIBIT NFkB AND BACE1 ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-18 US disclosed
US-20120064099-A1 COMPOUNDS THAT INHIBIT NFKB AND BACE1 ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140275165-A1 COMPOUNDS THAT INHIBIT NFkB AND BACE1 ACTIVITY NFKBIA, BACE1, BACE2 CA2 3670/4885CA1 2743/4885CA7 4039/4885
US-20120064099-A1 COMPOUNDS THAT INHIBIT NFKB AND BACE1 ACTIVITY NFKBIA, BACE1, BACE2 CA2 3670/4885CA1 2743/4885CA7 4039/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.